Long-range Corrected Density Functional Theory Including a Two-Gaussian Hartree−Fock Operator for High Accuracy Core-excitation Energy Calculations of Both the Second- and Third-Row Atoms (LC2gau-core-BOP).
| Autor: | Ahn, Dae-Hwan, Nakajima, Takahito, Hirao, Kimihiko, Song, Jong-Won |
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| Zdroj: | Journal of Chemical Theory & Computation; 8/27/2024, Vol. 20 Issue 16, p7113-7125, 13p |
| Databáze: | Supplemental Index |
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